2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol

C15H14BrClO2 — CID 65026534

IUPAC2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccccc2Br)cc1Cl
InChIInChI=1S/C15H14BrClO2/c1-19-15-7-6-11(8-13(15)17)14(18)9-10-4-2-3-5-12(10)16/h2-8,14,18H,9H2,1H3
InChIKeyBPTQZGALVBSUGM-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.39
Rot. Bonds4

About 2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol

2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol (PubChem CID 65026534) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol
PubChem CID65026534
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccccc2Br)cc1Cl
InChIInChI=1S/C15H14BrClO2/c1-19-15-7-6-11(8-13(15)17)14(18)9-10-4-2-3-5-12(10)16/h2-8,14,18H,9H2,1H3
InChIKeyBPTQZGALVBSUGM-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 114977277
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 55162570
2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 63895535
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371
2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790626
1-(3-chloro-4-methoxyphenyl)-2-(furan-3-yl)ethanol
CID 83172552
(1S)-2-[(2-bromophenyl)methylamino]-1-(3,4-dimethoxyphenyl)ethanol
CID 129390967
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216677
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 107307527
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol (CID 65026534) is 2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol is COc1ccc(C(O)Cc2ccccc2Br)cc1Cl.
What is the InChIKey of 2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol?
The InChIKey is BPTQZGALVBSUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-19-15-7-6-11(8-13(15)17)14(18)9-10-4-2-3-5-12(10)16/h2-8,14,18H,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol?
2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol has a molecular weight of 341.63 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 65026534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).